3-(methoxymethyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-1-benzofuran-2-carboxamide

C18H14N4O3S — CID 55807334

IUPAC3-(methoxymethyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-1-benzofuran-2-carboxamide
SMILESCOCc1c(C(=O)Nc2nnc(-c3ccccn3)s2)oc2ccccc12
InChIInChI=1S/C18H14N4O3S/c1-24-10-12-11-6-2-3-8-14(11)25-15(12)16(23)20-18-22-21-17(26-18)13-7-4-5-9-19-13/h2-9H,10H2,1H3,(H,20,22,23)
InChIKeyWQSMHBVQUJHCKX-UHFFFAOYSA-N
MW366.40 g/mol
LogP3.74
Rot. Bonds5

About 3-(methoxymethyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-1-benzofuran-2-carboxamide

3-(methoxymethyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-1-benzofuran-2-carboxamide (PubChem CID 55807334) has the molecular formula C18H14N4O3S and a molecular weight of 366.40 g/mol. Its IUPAC name is 3-(methoxymethyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-(methoxymethyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-1-benzofuran-2-carboxamide
PubChem CID55807334
Molecular FormulaC18H14N4O3S
Molecular Weight366.40 g/mol
Exact Mass366.08
IUPAC Name3-(methoxymethyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-1-benzofuran-2-carboxamide
SMILESCOCc1c(C(=O)Nc2nnc(-c3ccccn3)s2)oc2ccccc12
InChIInChI=1S/C18H14N4O3S/c1-24-10-12-11-6-2-3-8-14(11)25-15(12)16(23)20-18-22-21-17(26-18)13-7-4-5-9-19-13/h2-9H,10H2,1H3,(H,20,22,23)
InChIKeyWQSMHBVQUJHCKX-UHFFFAOYSA-N
XLogP3.74
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(methoxymethyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-1-benzofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of 3-(methoxymethyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-1-benzofuran-2-carboxamide (CID 55807334) is 3-(methoxymethyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-(methoxymethyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-(methoxymethyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-1-benzofuran-2-carboxamide is COCc1c(C(=O)Nc2nnc(-c3ccccn3)s2)oc2ccccc12.
What is the InChIKey of 3-(methoxymethyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-1-benzofuran-2-carboxamide?
The InChIKey is WQSMHBVQUJHCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O3S/c1-24-10-12-11-6-2-3-8-14(11)25-15(12)16(23)20-18-22-21-17(26-18)13-7-4-5-9-19-13/h2-9H,10H2,1H3,(H,20,22,23).
What are the key properties of 3-(methoxymethyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-1-benzofuran-2-carboxamide?
3-(methoxymethyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-1-benzofuran-2-carboxamide has a molecular weight of 366.40 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 55807334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).